SCHEMBL13719981

SCHEMBL13719981

CNc1nc2ccccc2c(N2CCCC(OC(=O)NC(C)(C)C)C2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NTMT1 Q9BV86 4/20 0.36
KDM4E B2RXH2 2/20 0.35
RAD52 P43351 1/20 0.35
BCHE P06276 3/20 0.35
MAOB P27338 1/20 0.35
MAP4K4 O95819 2/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13720068 0.86 POLB (0.38) ALDH1A1MEN1KMT2AMAPK1NPSR1
SCHEMBL13719979 0.80 MAP4K4 (0.53) MAP4K4
SCHEMBL13719628 0.78 NTMT1 (0.36) ALDH1A1MEN1KMT2ANTMT1KDM4E
SCHEMBL13719957 0.78 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPK1NPSR1
SCHEMBL13719815 0.77 CDK8 (0.39) NTMT1MAP4K4ACACBDGAT2
SCHEMBL13719621 0.72 SMPD3 (0.35) ALDH1A1KMT2ANPSR1NTMT1KDM4E
SCHEMBL13719758 0.71 CDK8 (0.40) NTMT1MAP4K4ACACBDGAT2
SCHEMBL13719598 0.71 CDK8 (0.40) NTMT1MAP4K4ACACBDGAT2
SCHEMBL13719630 0.71 ACACB (0.38) ACACB
SCHEMBL13719610 0.70 DPP4 (0.70)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524917-B1 FUSED PYRIDINE DERIVATIVES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD (CN) 2018-06-27 EP disclosed
US-8680089-B2 Fused pyridine derivatives Xuanzhu Pharma Co., Ltd. (CN) 2014-03-25 US disclosed
EP-2524917-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharmaco., Ltd. (CN) 2012-11-21 EP disclosed
US-20120289497-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharma Co., Ltd. (CN) 2012-11-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120289497-A1 FUSED PYRIDINE DERIVATIVES GPR119, INSR, IAPP ALDH1A1 2219/4885MEN1 1832/4885KMT2A 3976/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.